HMDB0041786 RDKit 3D Urolithin A 3,8-O-diglucuronide 65 69 0 0 0 0 0 0 0 0999 V2000 8.8453 1.5632 2.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7924 0.9314 1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 1.5252 2.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8397 -0.4478 1.4061 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6066 -1.0042 1.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8679 -0.4770 0.1678 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8397 0.3653 0.5871 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 0.2302 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8546 -0.8080 -0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -0.8801 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 0.1155 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 1.1688 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 1.2291 0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5437 2.1270 1.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 2.1197 1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 3.0570 1.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 1.0960 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 1.0571 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5050 0.0096 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 0.1211 -0.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8113 -0.7586 -0.6442 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5119 -0.2474 -1.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5176 0.6190 -1.4031 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1013 1.9577 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9362 2.3720 -0.8163 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1282 2.8557 -0.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5173 -0.0451 -0.5092 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2267 -0.9956 -1.2707 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9295 -0.7026 0.7075 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7784 0.2816 1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6445 -1.4205 0.4288 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8950 -2.7562 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7361 -0.9905 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -0.9915 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 0.0491 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 0.1993 -0.8866 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0139 0.2097 -2.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9484 -0.6949 -1.0819 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6806 -0.3508 -2.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7473 -0.5731 0.1994 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6846 -1.5905 0.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9717 1.2137 2.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 -1.0659 2.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4141 -1.3481 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4413 -1.6066 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -1.7168 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 2.0914 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 1.8917 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 -1.6180 -1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0751 0.8139 -2.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9803 3.8646 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2912 0.6884 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1460 -0.7567 -2.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6809 -1.4192 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6698 0.6470 1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0405 -1.4180 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5199 -2.7351 -0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2486 -1.8172 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -1.8054 -0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0037 1.2274 -0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 1.1311 -2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5645 -1.7343 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0413 0.5632 -2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3154 0.3802 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4237 -1.3836 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 23 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 19 33 2 0 33 34 1 0 34 35 2 0 6 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 4 1 0 13 8 1 0 35 17 1 0 35 11 1 0 31 21 1 0 3 42 1 0 4 43 1 1 6 44 1 6 9 45 1 0 10 46 1 0 13 47 1 0 18 48 1 0 21 49 1 6 23 50 1 6 26 51 1 0 27 52 1 1 28 53 1 0 29 54 1 1 30 55 1 0 31 56 1 1 32 57 1 0 33 58 1 0 34 59 1 0 36 60 1 1 37 61 1 0 38 62 1 6 39 63 1 0 40 64 1 6 41 65 1 0 M END